MMsINC Database Search


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MMsINC code: MMs03860478

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

OCC(NC(=O)Cc1cc2c(cc1)cccc2)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C23H24N2O3/c1-25(15-17-7-3-2-4-8-17)23(28)21(16-26)24-22(27)14-18-11-12-19-9-5-6-10-20(19)13-18/h2-13,21,26H,14-16H2,1H3,(H,24,27)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.979 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.1023	SlogP: 2.78437	Reactive groups: 0

Topological Properties
Globularity: 0.0641204	Sterimol/B1: 2.04501	Sterimol/B2: 4.4351	Sterimol/B3: 5.42919
Sterimol/B4: 7.38866	Sterimol/L: 18.2256

Surface and Volume Properties
Accessible surface: 678.378	Positive charged surface: 427.578	Negative charged surface: 240.537	Volume: 372.5
Hydrophobic surface: 572.675	Hydrophilic surface: 105.703

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.